Compile Data Set for Download or QSAR

Found 44 hits with Last Name = 'barrow' and Initial = 'cj'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Substance-K receptor (Homo sapiens (Human))	BDBM50030096 ((R)-11-{Hydroxy-[4-methoxy-3-(3-methyl-but-2-enyl)...) Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](Cc1c[nH]c3ccccc13)NC(=O)CNC(=O)C(NC(=O)CNC(=O)[C@@H](NC(=O)CNC2=O)C(C)C)C(O)c1ccc(OC)c(CC=C(C)C)c1 |wU:34.45,wD:8.9,1.0,(8.93,-3.18,;8.61,-5.02,;7.74,-3.74,;6.26,-4.19,;6.22,-5.74,;7.68,-6.24,;7.15,-7.68,;5.64,-7.37,;7.07,-9.22,;5.54,-9.37,;4.39,-10.64,;2.86,-10.64,;2.39,-12.12,;3.65,-13.01,;3.82,-14.55,;5.22,-15.16,;6.46,-14.25,;6.3,-12.72,;4.88,-12.1,;7.44,-10.72,;8.24,-12.03,;7.07,-13.01,;9.4,-13.05,;10.79,-13.69,;12.33,-13.88,;12.36,-15.42,;13.84,-13.62,;15.21,-12.92,;16.31,-11.85,;17.54,-12.78,;17.06,-10.5,;17.36,-9,;17.21,-7.46,;18.71,-7.09,;16.62,-6.04,;15.64,-4.85,;14.34,-4.02,;14.99,-2.61,;12.86,-3.6,;11.33,-3.63,;9.87,-4.11,;9.16,-2.74,;17.93,-5.24,;17.91,-3.71,;19.28,-5.98,;14.33,-15.08,;15.84,-15.39,;13.31,-16.23,;11.79,-15.92,;10.77,-17.08,;11.25,-18.53,;10.24,-19.69,;8.42,-19.24,;12.77,-18.84,;13.25,-20.3,;14.76,-20.62,;15.25,-22.08,;16.76,-22.39,;14.23,-23.22,;13.79,-17.69,)| Show InChI InChI=1S/C42H54N8O9/c1-23(2)12-13-25-17-26(14-15-32(25)59-5)38(54)37-41(57)46-20-33(51)47-30(18-27-19-43-29-10-7-6-9-28(27)29)42(58)50-16-8-11-31(50)39(55)44-21-34(52)48-36(24(3)4)40(56)45-22-35(53)49-37/h6-7,9-10,12,14-15,17,19,24,30-31,36-38,43,54H,8,11,13,16,18,20-22H2,1-5H3,(H,44,55)(H,45,56)(H,46,57)(H,47,51)(H,48,52)(H,49,53)/t30-,31+,36+,37?,38?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Winthrop Pharmaceuticals Research Division Curated by ChEMBL					Assay Description Displacement of [125I]-NKA substance P binding to human urinary bladder membrane protein (NK2)				J Med Chem 37: 356-63 (1994) BindingDB Entry DOI: 10.7270/Q21N805R
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50030095 ((R)-11-{Hydroxy-[4-methoxy-3-(2-methyl-butyl)-phen...) Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](Cc1c[nH]c3ccccc13)NC(=O)CNC(=O)C(NC(=O)CNC(=O)[C@@H](NC(=O)CNC2=O)C(C)C)C(O)c1ccc(OC)c(CC(C)CC)c1 Show InChI InChI=1S/C42H56N8O9/c1-6-24(4)16-26-17-25(13-14-32(26)59-5)38(54)37-41(57)46-20-33(51)47-30(18-27-19-43-29-11-8-7-10-28(27)29)42(58)50-15-9-12-31(50)39(55)44-21-34(52)48-36(23(2)3)40(56)45-22-35(53)49-37/h7-8,10-11,13-14,17,19,23-24,30-31,36-38,43,54H,6,9,12,15-16,18,20-22H2,1-5H3,(H,44,55)(H,45,56)(H,46,57)(H,47,51)(H,48,52)(H,49,53)/t24?,30-,31+,36+,37?,38?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Winthrop Pharmaceuticals Research Division Curated by ChEMBL					Assay Description Displacement of [125I]-NKA substance P binding to human urinary bladder membrane protein (NK2)				J Med Chem 37: 356-63 (1994) BindingDB Entry DOI: 10.7270/Q21N805R
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50030095 ((R)-11-{Hydroxy-[4-methoxy-3-(2-methyl-butyl)-phen...) Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](Cc1c[nH]c3ccccc13)NC(=O)CNC(=O)C(NC(=O)CNC(=O)[C@@H](NC(=O)CNC2=O)C(C)C)C(O)c1ccc(OC)c(CC(C)CC)c1 Show InChI InChI=1S/C42H56N8O9/c1-6-24(4)16-26-17-25(13-14-32(26)59-5)38(54)37-41(57)46-20-33(51)47-30(18-27-19-43-29-11-8-7-10-28(27)29)42(58)50-15-9-12-31(50)39(55)44-21-34(52)48-36(23(2)3)40(56)45-22-35(53)49-37/h7-8,10-11,13-14,17,19,23-24,30-31,36-38,43,54H,6,9,12,15-16,18,20-22H2,1-5H3,(H,44,55)(H,45,56)(H,46,57)(H,47,51)(H,48,52)(H,49,53)/t24?,30-,31+,36+,37?,38?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Winthrop Pharmaceuticals Research Division Curated by ChEMBL					Assay Description Displacement of [125I]- substance P binding to human astrocytoma cells (NK1)				J Med Chem 37: 356-63 (1994) BindingDB Entry DOI: 10.7270/Q21N805R
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50030096 ((R)-11-{Hydroxy-[4-methoxy-3-(3-methyl-but-2-enyl)...) Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](Cc1c[nH]c3ccccc13)NC(=O)CNC(=O)C(NC(=O)CNC(=O)[C@@H](NC(=O)CNC2=O)C(C)C)C(O)c1ccc(OC)c(CC=C(C)C)c1 |wU:34.45,wD:8.9,1.0,(8.93,-3.18,;8.61,-5.02,;7.74,-3.74,;6.26,-4.19,;6.22,-5.74,;7.68,-6.24,;7.15,-7.68,;5.64,-7.37,;7.07,-9.22,;5.54,-9.37,;4.39,-10.64,;2.86,-10.64,;2.39,-12.12,;3.65,-13.01,;3.82,-14.55,;5.22,-15.16,;6.46,-14.25,;6.3,-12.72,;4.88,-12.1,;7.44,-10.72,;8.24,-12.03,;7.07,-13.01,;9.4,-13.05,;10.79,-13.69,;12.33,-13.88,;12.36,-15.42,;13.84,-13.62,;15.21,-12.92,;16.31,-11.85,;17.54,-12.78,;17.06,-10.5,;17.36,-9,;17.21,-7.46,;18.71,-7.09,;16.62,-6.04,;15.64,-4.85,;14.34,-4.02,;14.99,-2.61,;12.86,-3.6,;11.33,-3.63,;9.87,-4.11,;9.16,-2.74,;17.93,-5.24,;17.91,-3.71,;19.28,-5.98,;14.33,-15.08,;15.84,-15.39,;13.31,-16.23,;11.79,-15.92,;10.77,-17.08,;11.25,-18.53,;10.24,-19.69,;8.42,-19.24,;12.77,-18.84,;13.25,-20.3,;14.76,-20.62,;15.25,-22.08,;16.76,-22.39,;14.23,-23.22,;13.79,-17.69,)| Show InChI InChI=1S/C42H54N8O9/c1-23(2)12-13-25-17-26(14-15-32(25)59-5)38(54)37-41(57)46-20-33(51)47-30(18-27-19-43-29-10-7-6-9-28(27)29)42(58)50-16-8-11-31(50)39(55)44-21-34(52)48-36(24(3)4)40(56)45-22-35(53)49-37/h6-7,9-10,12,14-15,17,19,24,30-31,36-38,43,54H,8,11,13,16,18,20-22H2,1-5H3,(H,44,55)(H,45,56)(H,46,57)(H,47,51)(H,48,52)(H,49,53)/t30-,31+,36+,37?,38?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Winthrop Pharmaceuticals Research Division Curated by ChEMBL					Assay Description Displacement of [125I]- substance P binding to human astrocytoma cells (NK1)				J Med Chem 37: 356-63 (1994) BindingDB Entry DOI: 10.7270/Q21N805R
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50030099 ((R)-5-(1H-Indol-3-ylmethyl)-17-isopropyl-11-[4-met...) Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](Cc1c[nH]c3ccccc13)NC(=O)CNC(=O)C(Cc1ccc(OC)c(CC(C)CC)c1)NC(=O)CNC(=O)[C@@H](NC(=O)CNC2=O)C(C)C Show InChI InChI=1S/C42H56N8O8/c1-6-25(4)16-27-17-26(13-14-34(27)58-5)18-31-39(54)44-21-36(52)48-32(19-28-20-43-30-11-8-7-10-29(28)30)42(57)50-15-9-12-33(50)40(55)45-23-37(53)49-38(24(2)3)41(56)46-22-35(51)47-31/h7-8,10-11,13-14,17,20,24-25,31-33,38,43H,6,9,12,15-16,18-19,21-23H2,1-5H3,(H,44,54)(H,45,55)(H,46,56)(H,47,51)(H,48,52)(H,49,53)/t25?,31?,32-,33+,38+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Winthrop Pharmaceuticals Research Division Curated by ChEMBL					Assay Description Displacement of [125I]- substance P binding to human astrocytoma cells (NK1)				J Med Chem 37: 356-63 (1994) BindingDB Entry DOI: 10.7270/Q21N805R
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50030092 ((R)-11-{Hydroxy-[4-hydroxy-3-(3-methyl-but-2-enyl)...) Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](Cc1c[nH]c3ccccc13)NC(=O)CNC(=O)C(NC(=O)CNC(=O)[C@@H](NC(=O)CNC2=O)C(C)C)C(O)c1ccc(O)c(CC=C(C)C)c1 |wU:34.45,wD:8.9,1.0,(8.93,-3.18,;8.61,-5.02,;7.74,-3.74,;6.26,-4.19,;6.22,-5.74,;7.68,-6.24,;7.15,-7.68,;5.64,-7.37,;7.07,-9.22,;5.54,-9.37,;4.39,-10.64,;2.86,-10.64,;2.39,-12.12,;3.65,-13.01,;3.82,-14.55,;5.22,-15.16,;6.46,-14.25,;6.3,-12.72,;4.88,-12.1,;7.44,-10.72,;8.24,-12.03,;7.07,-13.01,;9.4,-13.05,;10.79,-13.69,;12.33,-13.88,;12.36,-15.42,;13.84,-13.62,;15.21,-12.92,;16.31,-11.85,;17.54,-12.78,;17.06,-10.5,;17.36,-9,;17.21,-7.46,;18.71,-7.09,;16.62,-6.04,;15.64,-4.85,;14.34,-4.02,;14.99,-2.61,;12.86,-3.6,;11.33,-3.63,;9.87,-4.11,;9.16,-2.74,;17.93,-5.24,;17.91,-3.71,;19.28,-5.98,;14.33,-15.08,;15.84,-15.39,;13.31,-16.23,;11.79,-15.92,;10.77,-17.08,;11.25,-18.53,;10.24,-19.69,;12.77,-18.84,;13.25,-20.3,;14.76,-20.62,;15.25,-22.08,;16.76,-22.39,;14.23,-23.22,;13.79,-17.69,)| Show InChI InChI=1S/C41H52N8O9/c1-22(2)11-12-24-16-25(13-14-31(24)50)37(54)36-40(57)45-19-32(51)46-29(17-26-18-42-28-9-6-5-8-27(26)28)41(58)49-15-7-10-30(49)38(55)43-20-33(52)47-35(23(3)4)39(56)44-21-34(53)48-36/h5-6,8-9,11,13-14,16,18,23,29-30,35-37,42,50,54H,7,10,12,15,17,19-21H2,1-4H3,(H,43,55)(H,44,56)(H,45,57)(H,46,51)(H,47,52)(H,48,53)/t29-,30+,35+,36?,37?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Winthrop Pharmaceuticals Research Division Curated by ChEMBL					Assay Description Displacement of [125I]-NKA substance P binding to human urinary bladder membrane protein (NK2)				J Med Chem 37: 356-63 (1994) BindingDB Entry DOI: 10.7270/Q21N805R
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50030092 ((R)-11-{Hydroxy-[4-hydroxy-3-(3-methyl-but-2-enyl)...) Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](Cc1c[nH]c3ccccc13)NC(=O)CNC(=O)C(NC(=O)CNC(=O)[C@@H](NC(=O)CNC2=O)C(C)C)C(O)c1ccc(O)c(CC=C(C)C)c1 |wU:34.45,wD:8.9,1.0,(8.93,-3.18,;8.61,-5.02,;7.74,-3.74,;6.26,-4.19,;6.22,-5.74,;7.68,-6.24,;7.15,-7.68,;5.64,-7.37,;7.07,-9.22,;5.54,-9.37,;4.39,-10.64,;2.86,-10.64,;2.39,-12.12,;3.65,-13.01,;3.82,-14.55,;5.22,-15.16,;6.46,-14.25,;6.3,-12.72,;4.88,-12.1,;7.44,-10.72,;8.24,-12.03,;7.07,-13.01,;9.4,-13.05,;10.79,-13.69,;12.33,-13.88,;12.36,-15.42,;13.84,-13.62,;15.21,-12.92,;16.31,-11.85,;17.54,-12.78,;17.06,-10.5,;17.36,-9,;17.21,-7.46,;18.71,-7.09,;16.62,-6.04,;15.64,-4.85,;14.34,-4.02,;14.99,-2.61,;12.86,-3.6,;11.33,-3.63,;9.87,-4.11,;9.16,-2.74,;17.93,-5.24,;17.91,-3.71,;19.28,-5.98,;14.33,-15.08,;15.84,-15.39,;13.31,-16.23,;11.79,-15.92,;10.77,-17.08,;11.25,-18.53,;10.24,-19.69,;12.77,-18.84,;13.25,-20.3,;14.76,-20.62,;15.25,-22.08,;16.76,-22.39,;14.23,-23.22,;13.79,-17.69,)| Show InChI InChI=1S/C41H52N8O9/c1-22(2)11-12-24-16-25(13-14-31(24)50)37(54)36-40(57)45-19-32(51)46-29(17-26-18-42-28-9-6-5-8-27(26)28)41(58)49-15-7-10-30(49)38(55)43-20-33(52)47-35(23(3)4)39(56)44-21-34(53)48-36/h5-6,8-9,11,13-14,16,18,23,29-30,35-37,42,50,54H,7,10,12,15,17,19-21H2,1-4H3,(H,43,55)(H,44,56)(H,45,57)(H,46,51)(H,47,52)(H,48,53)/t29-,30+,35+,36?,37?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Winthrop Pharmaceuticals Research Division Curated by ChEMBL					Assay Description Displacement of [125I]- substance P binding to human astrocytoma cells (NK1)				J Med Chem 37: 356-63 (1994) BindingDB Entry DOI: 10.7270/Q21N805R
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50030094 ((R)-11-[Hydroxy-(4-methoxy-phenyl)-methyl]-5-(1H-i...) Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](Cc1c[nH]c3ccccc13)NC(=O)CNC(=O)C(NC(=O)CNC(=O)[C@@H](NC(=O)CNC2=O)C(C)C)C(O)c1ccc(OC)cc1 Show InChI InChI=1S/C37H46N8O9/c1-20(2)31-35(51)40-19-30(48)44-32(33(49)21-10-12-23(54-3)13-11-21)36(52)41-17-28(46)42-26(15-22-16-38-25-8-5-4-7-24(22)25)37(53)45-14-6-9-27(45)34(50)39-18-29(47)43-31/h4-5,7-8,10-13,16,20,26-27,31-33,38,49H,6,9,14-15,17-19H2,1-3H3,(H,39,50)(H,40,51)(H,41,52)(H,42,46)(H,43,47)(H,44,48)/t26-,27+,31+,32?,33?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Winthrop Pharmaceuticals Research Division Curated by ChEMBL					Assay Description Displacement of [125I]-NKA substance P binding to human urinary bladder membrane protein (NK2)				J Med Chem 37: 356-63 (1994) BindingDB Entry DOI: 10.7270/Q21N805R
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50030094 ((R)-11-[Hydroxy-(4-methoxy-phenyl)-methyl]-5-(1H-i...) Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](Cc1c[nH]c3ccccc13)NC(=O)CNC(=O)C(NC(=O)CNC(=O)[C@@H](NC(=O)CNC2=O)C(C)C)C(O)c1ccc(OC)cc1 Show InChI InChI=1S/C37H46N8O9/c1-20(2)31-35(51)40-19-30(48)44-32(33(49)21-10-12-23(54-3)13-11-21)36(52)41-17-28(46)42-26(15-22-16-38-25-8-5-4-7-24(22)25)37(53)45-14-6-9-27(45)34(50)39-18-29(47)43-31/h4-5,7-8,10-13,16,20,26-27,31-33,38,49H,6,9,14-15,17-19H2,1-3H3,(H,39,50)(H,40,51)(H,41,52)(H,42,46)(H,43,47)(H,44,48)/t26-,27+,31+,32?,33?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Winthrop Pharmaceuticals Research Division Curated by ChEMBL					Assay Description Displacement of [125I]- substance P binding to human astrocytoma cells (NK1)				J Med Chem 37: 356-63 (1994) BindingDB Entry DOI: 10.7270/Q21N805R
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50407271 (CHEMBL2112592) Show SMILES CC(C)[C@@H]1NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)[C@H](Cc2ccc(OC(C)(C)C)cc2)NC(=O)CNC1=O Show InChI InChI=1S/C40H52N8O8/c1-23(2)35-38(54)44-21-32(49)45-29(17-24-12-14-26(15-13-24)56-40(3,4)5)36(52)42-20-33(50)46-30(18-25-19-41-28-10-7-6-9-27(25)28)39(55)48-16-8-11-31(48)37(53)43-22-34(51)47-35/h6-7,9-10,12-15,19,23,29-31,35,41H,8,11,16-18,20-22H2,1-5H3,(H,42,52)(H,43,53)(H,44,54)(H,45,49)(H,46,50)(H,47,51)/t29-,30+,31-,35-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Winthrop Pharmaceuticals Research Division Curated by ChEMBL					Assay Description Displacement of [125I]-NKA substance P binding to human urinary bladder membrane protein (NK2)				J Med Chem 37: 356-63 (1994) BindingDB Entry DOI: 10.7270/Q21N805R
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50407272 (CHEMBL2111789) Show SMILES CC(C)[C@@H]1NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)[C@H](Cc2ccc(OC(C)(C)C)cc2)NC(=O)CNC1=O Show InChI InChI=1S/C40H52N8O8/c1-23(2)35-38(54)44-21-32(49)45-29(17-24-12-14-26(15-13-24)56-40(3,4)5)36(52)42-20-33(50)46-30(18-25-19-41-28-10-7-6-9-27(25)28)39(55)48-16-8-11-31(48)37(53)43-22-34(51)47-35/h6-7,9-10,12-15,19,23,29-31,35,41H,8,11,16-18,20-22H2,1-5H3,(H,42,52)(H,43,53)(H,44,54)(H,45,49)(H,46,50)(H,47,51)/t29-,30-,31-,35-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Winthrop Pharmaceuticals Research Division Curated by ChEMBL					Assay Description Displacement of [125I]-NKA substance P binding to human urinary bladder membrane protein (NK2)				J Med Chem 37: 356-63 (1994) BindingDB Entry DOI: 10.7270/Q21N805R
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50407271 (CHEMBL2112592) Show SMILES CC(C)[C@@H]1NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)[C@H](Cc2ccc(OC(C)(C)C)cc2)NC(=O)CNC1=O Show InChI InChI=1S/C40H52N8O8/c1-23(2)35-38(54)44-21-32(49)45-29(17-24-12-14-26(15-13-24)56-40(3,4)5)36(52)42-20-33(50)46-30(18-25-19-41-28-10-7-6-9-27(25)28)39(55)48-16-8-11-31(48)37(53)43-22-34(51)47-35/h6-7,9-10,12-15,19,23,29-31,35,41H,8,11,16-18,20-22H2,1-5H3,(H,42,52)(H,43,53)(H,44,54)(H,45,49)(H,46,50)(H,47,51)/t29-,30+,31-,35-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Winthrop Pharmaceuticals Research Division Curated by ChEMBL					Assay Description Displacement of [125I]- substance P binding to human astrocytoma cells (NK1)				J Med Chem 37: 356-63 (1994) BindingDB Entry DOI: 10.7270/Q21N805R
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50030091 ((R)-5-(1H-Indol-3-ylmethyl)-17-isopropyl-11-(4-met...) Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](Cc1c[nH]c3ccccc13)NC(=O)CNC(=O)C(Cc1ccc(OC)cc1)NC(=O)CNC(=O)[C@@H](NC(=O)CNC2=O)C(C)C Show InChI InChI=1S/C37H46N8O8/c1-21(2)33-36(51)41-19-30(46)42-27(15-22-10-12-24(53-3)13-11-22)34(49)39-18-31(47)43-28(16-23-17-38-26-8-5-4-7-25(23)26)37(52)45-14-6-9-29(45)35(50)40-20-32(48)44-33/h4-5,7-8,10-13,17,21,27-29,33,38H,6,9,14-16,18-20H2,1-3H3,(H,39,49)(H,40,50)(H,41,51)(H,42,46)(H,43,47)(H,44,48)/t27?,28-,29+,33+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Winthrop Pharmaceuticals Research Division Curated by ChEMBL					Assay Description Displacement of [125I]- substance P binding to human astrocytoma cells (NK1)				J Med Chem 37: 356-63 (1994) BindingDB Entry DOI: 10.7270/Q21N805R
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50030091 ((R)-5-(1H-Indol-3-ylmethyl)-17-isopropyl-11-(4-met...) Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](Cc1c[nH]c3ccccc13)NC(=O)CNC(=O)C(Cc1ccc(OC)cc1)NC(=O)CNC(=O)[C@@H](NC(=O)CNC2=O)C(C)C Show InChI InChI=1S/C37H46N8O8/c1-21(2)33-36(51)41-19-30(46)42-27(15-22-10-12-24(53-3)13-11-22)34(49)39-18-31(47)43-28(16-23-17-38-26-8-5-4-7-25(23)26)37(52)45-14-6-9-29(45)35(50)40-20-32(48)44-33/h4-5,7-8,10-13,17,21,27-29,33,38H,6,9,14-16,18-20H2,1-3H3,(H,39,49)(H,40,50)(H,41,51)(H,42,46)(H,43,47)(H,44,48)/t27?,28-,29+,33+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Winthrop Pharmaceuticals Research Division Curated by ChEMBL					Assay Description Displacement of [125I]-NKA substance P binding to human urinary bladder membrane protein (NK2)				J Med Chem 37: 356-63 (1994) BindingDB Entry DOI: 10.7270/Q21N805R
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50407272 (CHEMBL2111789) Show SMILES CC(C)[C@@H]1NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)[C@H](Cc2ccc(OC(C)(C)C)cc2)NC(=O)CNC1=O Show InChI InChI=1S/C40H52N8O8/c1-23(2)35-38(54)44-21-32(49)45-29(17-24-12-14-26(15-13-24)56-40(3,4)5)36(52)42-20-33(50)46-30(18-25-19-41-28-10-7-6-9-27(25)28)39(55)48-16-8-11-31(48)37(53)43-22-34(51)47-35/h6-7,9-10,12-15,19,23,29-31,35,41H,8,11,16-18,20-22H2,1-5H3,(H,42,52)(H,43,53)(H,44,54)(H,45,49)(H,46,50)(H,47,51)/t29-,30-,31-,35-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Winthrop Pharmaceuticals Research Division Curated by ChEMBL					Assay Description Displacement of [125I]- substance P binding to human astrocytoma cells (NK1)				J Med Chem 37: 356-63 (1994) BindingDB Entry DOI: 10.7270/Q21N805R
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50292436 (CHEMBL515179 | spiroquinazoline) Show SMILES C[C@@]12NC(=O)[C@@H](C[C@]11[C@H]3NCC(=O)N3c3ccccc13)n1c2nc2ccccc2c1=O |r,TLB:19:7:21.20:3.2,THB:8:7:21.20:3.2,22:21:3.2:7.6,4:3:21.20:7.6| Show InChI InChI=1S/C23H19N5O3/c1-22-20-25-14-8-4-2-6-12(14)19(31)28(20)16(18(30)26-22)10-23(22)13-7-3-5-9-15(13)27-17(29)11-24-21(23)27/h2-9,16,21,24H,10-11H2,1H3,(H,26,30)/t16-,21+,22+,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	9.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]substance P from NK1 receptor in human astrocytoma cells				J Nat Prod 57: 471-476 (1994) Article DOI: 10.1021/np50106a005 BindingDB Entry DOI: 10.7270/Q2Q2408X
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50030097 ((R)-11-[Hydroxy-(4-hydroxy-phenyl)-methyl]-5-(1H-i...) Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](Cc1c[nH]c3ccccc13)NC(=O)CNC(=O)C(NC(=O)CNC(=O)[C@@H](NC(=O)CNC2=O)C(C)C)C(O)c1ccc(O)cc1 Show InChI InChI=1S/C36H44N8O9/c1-19(2)30-34(51)39-18-29(48)43-31(32(49)20-9-11-22(45)12-10-20)35(52)40-16-27(46)41-25(14-21-15-37-24-7-4-3-6-23(21)24)36(53)44-13-5-8-26(44)33(50)38-17-28(47)42-30/h3-4,6-7,9-12,15,19,25-26,30-32,37,45,49H,5,8,13-14,16-18H2,1-2H3,(H,38,50)(H,39,51)(H,40,52)(H,41,46)(H,42,47)(H,43,48)/t25-,26+,30+,31?,32?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Winthrop Pharmaceuticals Research Division Curated by ChEMBL					Assay Description Displacement of [125I]- substance P binding to human astrocytoma cells (NK1)				J Med Chem 37: 356-63 (1994) BindingDB Entry DOI: 10.7270/Q21N805R
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50030098 ((R)-11-(4-Hydroxy-benzyl)-5-(1H-indol-3-ylmethyl)-...) Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](Cc1c[nH]c3ccccc13)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@@H](NC(=O)CNC2=O)C(C)C Show InChI InChI=1S/C36H44N8O8/c1-20(2)32-35(51)40-18-29(46)41-26(14-21-9-11-23(45)12-10-21)33(49)38-17-30(47)42-27(15-22-16-37-25-7-4-3-6-24(22)25)36(52)44-13-5-8-28(44)34(50)39-19-31(48)43-32/h3-4,6-7,9-12,16,20,26-28,32,37,45H,5,8,13-15,17-19H2,1-2H3,(H,38,49)(H,39,50)(H,40,51)(H,41,46)(H,42,47)(H,43,48)/t26-,27+,28-,32-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Winthrop Pharmaceuticals Research Division Curated by ChEMBL					Assay Description Displacement of [125I]-NKA substance P binding to human urinary bladder membrane protein (NK2)				J Med Chem 37: 356-63 (1994) BindingDB Entry DOI: 10.7270/Q21N805R
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50030098 ((R)-11-(4-Hydroxy-benzyl)-5-(1H-indol-3-ylmethyl)-...) Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](Cc1c[nH]c3ccccc13)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@@H](NC(=O)CNC2=O)C(C)C Show InChI InChI=1S/C36H44N8O8/c1-20(2)32-35(51)40-18-29(46)41-26(14-21-9-11-23(45)12-10-21)33(49)38-17-30(47)42-27(15-22-16-37-25-7-4-3-6-24(22)25)36(52)44-13-5-8-28(44)34(50)39-19-31(48)43-32/h3-4,6-7,9-12,16,20,26-28,32,37,45H,5,8,13-15,17-19H2,1-2H3,(H,38,49)(H,39,50)(H,40,51)(H,41,46)(H,42,47)(H,43,48)/t26-,27+,28-,32-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Winthrop Pharmaceuticals Research Division Curated by ChEMBL					Assay Description Displacement of [125I]- substance P binding to human astrocytoma cells (NK1)				J Med Chem 37: 356-63 (1994) BindingDB Entry DOI: 10.7270/Q21N805R
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50030090 ((R)-11-(1H-Indol-5-ylmethyl)-5-(1H-indol-3-ylmethy...) Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](Cc1c[nH]c3ccccc13)NC(=O)CNC(=O)[C@H](Cc1ccc3[nH]ccc3c1)NC(=O)CNC(=O)[C@@H](NC(=O)CNC2=O)C(C)C Show InChI InChI=1S/C38H45N9O7/c1-21(2)34-37(53)43-19-31(48)44-28(15-22-9-10-26-23(14-22)11-12-39-26)35(51)41-18-32(49)45-29(16-24-17-40-27-7-4-3-6-25(24)27)38(54)47-13-5-8-30(47)36(52)42-20-33(50)46-34/h3-4,6-7,9-12,14,17,21,28-30,34,39-40H,5,8,13,15-16,18-20H2,1-2H3,(H,41,51)(H,42,52)(H,43,53)(H,44,48)(H,45,49)(H,46,50)/t28-,29+,30-,34-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Winthrop Pharmaceuticals Research Division Curated by ChEMBL					Assay Description Displacement of [125I]- substance P binding to human astrocytoma cells (NK1)				J Med Chem 37: 356-63 (1994) BindingDB Entry DOI: 10.7270/Q21N805R
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50030090 ((R)-11-(1H-Indol-5-ylmethyl)-5-(1H-indol-3-ylmethy...) Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](Cc1c[nH]c3ccccc13)NC(=O)CNC(=O)[C@H](Cc1ccc3[nH]ccc3c1)NC(=O)CNC(=O)[C@@H](NC(=O)CNC2=O)C(C)C Show InChI InChI=1S/C38H45N9O7/c1-21(2)34-37(53)43-19-31(48)44-28(15-22-9-10-26-23(14-22)11-12-39-26)35(51)41-18-32(49)45-29(16-24-17-40-27-7-4-3-6-25(24)27)38(54)47-13-5-8-30(47)36(52)42-20-33(50)46-34/h3-4,6-7,9-12,14,17,21,28-30,34,39-40H,5,8,13,15-16,18-20H2,1-2H3,(H,41,51)(H,42,52)(H,43,53)(H,44,48)(H,45,49)(H,46,50)/t28-,29+,30-,34-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Winthrop Pharmaceuticals Research Division Curated by ChEMBL					Assay Description Displacement of [125I]-NKA substance P binding to human urinary bladder membrane protein (NK2)				J Med Chem 37: 356-63 (1994) BindingDB Entry DOI: 10.7270/Q21N805R
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50030097 ((R)-11-[Hydroxy-(4-hydroxy-phenyl)-methyl]-5-(1H-i...) Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](Cc1c[nH]c3ccccc13)NC(=O)CNC(=O)C(NC(=O)CNC(=O)[C@@H](NC(=O)CNC2=O)C(C)C)C(O)c1ccc(O)cc1 Show InChI InChI=1S/C36H44N8O9/c1-19(2)30-34(51)39-18-29(48)43-31(32(49)20-9-11-22(45)12-10-20)35(52)40-16-27(46)41-25(14-21-15-37-24-7-4-3-6-23(21)24)36(53)44-13-5-8-26(44)33(50)38-17-28(47)42-30/h3-4,6-7,9-12,15,19,25-26,30-32,37,45,49H,5,8,13-14,16-18H2,1-2H3,(H,38,50)(H,39,51)(H,40,52)(H,41,46)(H,42,47)(H,43,48)/t25-,26+,30+,31?,32?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Winthrop Pharmaceuticals Research Division Curated by ChEMBL					Assay Description Displacement of [125I]-NKA substance P binding to human urinary bladder membrane protein (NK2)				J Med Chem 37: 356-63 (1994) BindingDB Entry DOI: 10.7270/Q21N805R
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50292437 (CHEMBL480101 | acyl aszonalenin) Show SMILES CC(=O)N1[C@H]2N3[C@@H](C[C@]2(c2ccccc12)C(C)(C)C=C)C(=O)Nc1ccccc1C3=O |r| Show InChI InChI=1S/C25H25N3O3/c1-5-24(3,4)25-14-20-21(30)26-18-12-8-6-10-16(18)22(31)28(20)23(25)27(15(2)29)19-13-9-7-11-17(19)25/h5-13,20,23H,1,14H2,2-4H3,(H,26,30)/t20-,23-,25+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	1.70E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]substance P from NK1 receptor in human astrocytoma cells				J Nat Prod 57: 471-476 (1994) Article DOI: 10.1021/np50106a005 BindingDB Entry DOI: 10.7270/Q2Q2408X
					More data for this Ligand-Target Pair
Integrin alpha-L (Homo sapiens (Human))	BDBM50412085 (CHEMBL455056) Show SMILES CC(=O)OC(C)(C)C=CC(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](CC(=O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C |r,w:8.8,c:22| Show InChI InChI=1S/C32H44O8/c1-17(33)40-27(2,3)13-12-23(36)32(9,39)25-21(35)15-29(6)22-11-10-18-19(14-20(34)26(38)28(18,4)5)31(22,8)24(37)16-30(25,29)7/h10,12-13,19,21-22,25,35,39H,11,14-16H2,1-9H3/t19-,21-,22+,25+,29+,30-,31+,32+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of LFA1 expressed in human JY cells interaction with ICAM1-IG expressed in human HeLa cell monolayer after 45 mins by cell adhesion assay				J Nat Prod 57: 1498-1502 (1994) Article DOI: 10.1021/np50113a004 BindingDB Entry DOI: 10.7270/Q27081GH
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50292417 ((3S,5aR,10bR,11aS,3'S,5'R,11'R)-3,3'-Dibenzyl-2,3,...) Show SMILES O=C1N[C@@H](Cc2ccccc2)C(=O)N2[C@H]1C[C@]1([C@@H]2Nc2ccccc12)[C@]12C[C@@H]3N([C@H]1Nc1ccccc21)C(=O)[C@H](Cc1ccccc1)NC3=O |r| Show InChI InChI=1S/C40H36N6O4/c47-33-31-21-39(25-15-7-9-17-27(25)43-37(39)45(31)35(49)29(41-33)19-23-11-3-1-4-12-23)40-22-32-34(48)42-30(20-24-13-5-2-6-14-24)36(50)46(32)38(40)44-28-18-10-8-16-26(28)40/h1-18,29-32,37-38,43-44H,19-22H2,(H,41,47)(H,42,48)/t29-,30-,31-,32-,37+,38+,39-,40-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of substance P receptor				J Nat Prod 57: 1239-1244 (1994) Article DOI: 10.1021/np50111a008 BindingDB Entry DOI: 10.7270/Q2GH9J05
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50286412 ((3S,5aR,11aS,3'S,5'aR,11'aS)-3,3'-Dibenzyl-2,3,5a,...) Show SMILES O=C1N[C@@H](Cc2ccccc2)C(=O)N2[C@H]1CC1([C@@H]2Nc2ccccc12)C12C[C@@H]3N([C@H]1Nc1ccccc21)C(=O)[C@H](Cc1ccccc1)NC3=O Show InChI InChI=1S/C40H36N6O4/c47-33-31-21-39(25-15-7-9-17-27(25)43-37(39)45(31)35(49)29(41-33)19-23-11-3-1-4-12-23)40-22-32-34(48)42-30(20-24-13-5-2-6-14-24)36(50)46(32)38(40)44-28-18-10-8-16-26(28)40/h1-18,29-32,37-38,43-44H,19-22H2,(H,41,47)(H,42,48)/t29-,30-,31-,32-,37+,38+,39?,40?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonistic activity against Tachykinin receptor 1				Bioorg Med Chem Lett 5: 377-380 (1995) Article DOI: 10.1016/0960-894X(95)00039-V BindingDB Entry DOI: 10.7270/Q29023R8
					More data for this Ligand-Target Pair
Integrin alpha-L (Homo sapiens (Human))	BDBM50378060 (CUCURBITACIN B) Show SMILES CC(=O)OC(C)(C)\C=C\C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@H](C[C@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C |r,c:22| Show InChI InChI=1S/C32H46O8/c1-17(33)40-27(2,3)13-12-23(36)32(9,39)25-21(35)15-29(6)22-11-10-18-19(14-20(34)26(38)28(18,4)5)31(22,8)24(37)16-30(25,29)7/h10,12-13,19-22,25,34-35,39H,11,14-16H2,1-9H3/b13-12+/t19-,20-,21+,22-,25-,29-,30+,31-,32-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of LFA1 expressed in human JY cells interaction with ICAM1-IG expressed in human HeLa cell monolayer after 45 mins by cell adhesion assay				J Nat Prod 57: 1498-1502 (1994) Article DOI: 10.1021/np50113a004 BindingDB Entry DOI: 10.7270/Q27081GH
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50286416 ((3S,5aR,11aS,3'S,5'aR,11'aS)-3,3'-Dibenzyl-10-meth...) Show SMILES Cc1cccc2N[C@@H]3N4[C@@H](CC3(c12)C12C[C@@H]3N([C@H]1Nc1ccccc21)C(=O)[C@H](Cc1ccccc1)NC3=O)C(=O)N[C@@H](Cc1ccccc1)C4=O Show InChI InChI=1S/C41H38N6O4/c1-23-11-10-18-28-33(23)41(22-32-35(49)43-30(20-25-14-6-3-7-15-25)37(51)47(32)39(41)45-28)40-21-31-34(48)42-29(19-24-12-4-2-5-13-24)36(50)46(31)38(40)44-27-17-9-8-16-26(27)40/h2-18,29-32,38-39,44-45H,19-22H2,1H3,(H,42,48)(H,43,49)/t29-,30-,31-,32-,38+,39+,40?,41?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonistic activity against Tachykinin receptor 1				Bioorg Med Chem Lett 5: 377-380 (1995) Article DOI: 10.1016/0960-894X(95)00039-V BindingDB Entry DOI: 10.7270/Q29023R8
					More data for this Ligand-Target Pair
Integrin alpha-L (Homo sapiens (Human))	BDBM50412087 (CUCURBITACIN I | NSC-521777) Show SMILES CC(C)(O)C=CC(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](CC(=O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C |r,w:4.3,c:19| Show InChI InChI=1S/C30H42O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-12,17,19-20,23,32,36-37H,10,13-15H2,1-8H3/t17-,19-,20+,23+,27+,28-,29+,30+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	950	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of LFA1 expressed in human JY cells interaction with ICAM1-IG expressed in human HeLa cell monolayer after 45 mins by cell adhesion assay				J Nat Prod 57: 1498-1502 (1994) Article DOI: 10.1021/np50113a004 BindingDB Entry DOI: 10.7270/Q27081GH
					More data for this Ligand-Target Pair
Integrin alpha-L (Homo sapiens (Human))	BDBM50412086 (CHEMBL492404) Show SMILES CC(C)(O)\C=C\C(=O)[C@@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C |r,c:19| Show InChI InChI=1S/C30H44O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-12,17-20,23,31-32,36-37H,10,13-15H2,1-8H3/b12-11+/t17-,18+,19-,20+,23+,27+,28-,29+,30-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of LFA1 expressed in human JY cells interaction with ICAM1-IG expressed in human HeLa cell monolayer after 45 mins by cell adhesion assay				J Nat Prod 57: 1498-1502 (1994) Article DOI: 10.1021/np50113a004 BindingDB Entry DOI: 10.7270/Q27081GH
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50286409 ((3S,5aR,11aS,3'S,5'aR,11'aS)-3,3'-Dibenzyl-10,10'-...) Show SMILES Cc1cccc2N[C@@H]3N4[C@@H](CC3(c12)C12C[C@@H]3N([C@H]1Nc1cccc(C)c21)C(=O)[C@H](Cc1ccccc1)NC3=O)C(=O)N[C@@H](Cc1ccccc1)C4=O Show InChI InChI=1S/C42H40N6O4/c1-23-11-9-17-27-33(23)41(21-31-35(49)43-29(19-25-13-5-3-6-14-25)37(51)47(31)39(41)45-27)42-22-32-36(50)44-30(20-26-15-7-4-8-16-26)38(52)48(32)40(42)46-28-18-10-12-24(2)34(28)42/h3-18,29-32,39-40,45-46H,19-22H2,1-2H3,(H,43,49)(H,44,50)/t29-,30-,31-,32-,39+,40+,41?,42?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonistic activity against Tachykinin receptor 1				Bioorg Med Chem Lett 5: 377-380 (1995) Article DOI: 10.1016/0960-894X(95)00039-V BindingDB Entry DOI: 10.7270/Q29023R8
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50292416 (CHEMBL501675 | Ditryptophenaline) Show SMILES CN1[C@@H](Cc2ccccc2)C(=O)N2[C@@H](C[C@@]3([C@H]2Nc2ccccc32)[C@@]23C[C@@H]4N([C@@H]2Nc2ccccc32)C(=O)[C@H](Cc2ccccc2)N(C)C4=O)C1=O |r| Show InChI InChI=1S/C42H40N6O4/c1-45-31(21-25-13-5-3-6-14-25)37(51)47-33(35(45)49)23-41(27-17-9-11-19-29(27)43-39(41)47)42-24-34-36(50)46(2)32(22-26-15-7-4-8-16-26)38(52)48(34)40(42)44-30-20-12-10-18-28(30)42/h3-20,31-34,39-40,43-44H,21-24H2,1-2H3/t31-,32-,33-,34-,39-,40-,41+,42+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of substance P receptor				J Nat Prod 57: 1239-1244 (1994) Article DOI: 10.1021/np50111a008 BindingDB Entry DOI: 10.7270/Q2GH9J05
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50286418 ((3S,5aR,10bR,11aS)-10b-(5-Amino-2-methoxy-benzyl)-...) Show SMILES COc1ccc(N)cc1C[C@]12C[C@@H]3N([C@H]1Nc1ccccc21)C(=O)[C@H](Cc1ccccc1)NC3=O Show InChI InChI=1S/C28H28N4O3/c1-35-24-12-11-19(29)14-18(24)15-28-16-23-25(33)30-22(13-17-7-3-2-4-8-17)26(34)32(23)27(28)31-21-10-6-5-9-20(21)28/h2-12,14,22-23,27,31H,13,15-16,29H2,1H3,(H,30,33)/t22-,23-,27+,28+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonistic activity against Tachykinin receptor 1				Bioorg Med Chem Lett 5: 377-380 (1995) Article DOI: 10.1016/0960-894X(95)00039-V BindingDB Entry DOI: 10.7270/Q29023R8
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50286410 ((3S,5aS,10bS,11aS)-10b-(5-Amino-2-methoxy-benzyl)-...) Show SMILES COc1ccc(N)cc1C[C@@]12C[C@@H]3N([C@@H]1Nc1ccccc21)C(=O)[C@H](Cc1ccccc1)NC3=O Show InChI InChI=1S/C28H28N4O3/c1-35-24-12-11-19(29)14-18(24)15-28-16-23-25(33)30-22(13-17-7-3-2-4-8-17)26(34)32(23)27(28)31-21-10-6-5-9-20(21)28/h2-12,14,22-23,27,31H,13,15-16,29H2,1H3,(H,30,33)/t22-,23-,27-,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	3.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonistic activity against Tachykinin receptor 1				Bioorg Med Chem Lett 5: 377-380 (1995) Article DOI: 10.1016/0960-894X(95)00039-V BindingDB Entry DOI: 10.7270/Q29023R8
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50286411 ((3S,5aR,10bR,11aS)-3-Benzyl-10b-(2-hydroxy-5-nitro...) Show SMILES Oc1ccc(cc1C[C@]12C[C@@H]3N([C@H]1Nc1ccccc21)C(=O)[C@H](Cc1ccccc1)NC3=O)[N+]([O-])=O Show InChI InChI=1S/C27H24N4O5/c32-23-11-10-18(31(35)36)13-17(23)14-27-15-22-24(33)28-21(12-16-6-2-1-3-7-16)25(34)30(22)26(27)29-20-9-5-4-8-19(20)27/h1-11,13,21-22,26,29,32H,12,14-15H2,(H,28,33)/t21-,22-,26+,27+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	4.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonistic activity against Tachykinin receptor 1				Bioorg Med Chem Lett 5: 377-380 (1995) Article DOI: 10.1016/0960-894X(95)00039-V BindingDB Entry DOI: 10.7270/Q29023R8
					More data for this Ligand-Target Pair
Integrin alpha-L (Homo sapiens (Human))	BDBM50292420 (CHEMBL480112 | Cucurbitacin R) Show SMILES CC(C)(O)CCC(=O)[C@@](C)(O)C1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4C(C[C@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C |r,c:19| Show InChI InChI=1S/C30H46O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,17-20,23,31-32,36-37H,10-15H2,1-8H3/t17?,18-,19+,20-,23?,27-,28+,29-,30+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of LFA1 expressed in human JY cells interaction with ICAM1-IG expressed in human HeLa cell monolayer after 45 mins by cell adhesion assay				J Nat Prod 57: 1498-1502 (1994) Article DOI: 10.1021/np50113a004 BindingDB Entry DOI: 10.7270/Q27081GH
					More data for this Ligand-Target Pair
Integrin alpha-L (Homo sapiens (Human))	BDBM50292421 (CHEMBL480111 | Cucurbitacin L) Show SMILES CC(C)(O)CCC(=O)[C@@](C)(O)C1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4C(CC(=O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C |r,c:19| Show InChI InChI=1S/C30H44O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,17,19-20,23,32,36-37H,10-15H2,1-8H3/t17?,19-,20+,23?,27+,28-,29+,30-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of LFA1 expressed in human JY cells interaction with ICAM1-IG expressed in human HeLa cell monolayer after 45 mins by cell adhesion assay				J Nat Prod 57: 1498-1502 (1994) Article DOI: 10.1021/np50113a004 BindingDB Entry DOI: 10.7270/Q27081GH
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50286406 ((3S,5aR,10bR,11aS)-3-Benzyl-10b-(2-methoxy-5-nitro...) Show SMILES COc1ccc(cc1C[C@]12C[C@@H]3N([C@H]1Nc1ccccc21)C(=O)[C@H](Cc1ccccc1)NC3=O)[N+]([O-])=O Show InChI InChI=1S/C28H26N4O5/c1-37-24-12-11-19(32(35)36)14-18(24)15-28-16-23-25(33)29-22(13-17-7-3-2-4-8-17)26(34)31(23)27(28)30-21-10-6-5-9-20(21)28/h2-12,14,22-23,27,30H,13,15-16H2,1H3,(H,29,33)/t22-,23-,27+,28+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	5.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonistic activity against Tachykinin receptor 1				Bioorg Med Chem Lett 5: 377-380 (1995) Article DOI: 10.1016/0960-894X(95)00039-V BindingDB Entry DOI: 10.7270/Q29023R8
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50286417 ((3S,5aS,10bS,11aS)-3-Benzyl-10b-(2-methoxy-5-nitro...) Show SMILES COc1ccc(cc1C[C@@]12C[C@@H]3N([C@@H]1Nc1ccccc21)C(=O)[C@H](Cc1ccccc1)NC3=O)[N+]([O-])=O Show InChI InChI=1S/C28H26N4O5/c1-37-24-12-11-19(32(35)36)14-18(24)15-28-16-23-25(33)29-22(13-17-7-3-2-4-8-17)26(34)31(23)27(28)30-21-10-6-5-9-20(21)28/h2-12,14,22-23,27,30H,13,15-16H2,1H3,(H,29,33)/t22-,23-,27-,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	8.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonistic activity against Tachykinin receptor 1				Bioorg Med Chem Lett 5: 377-380 (1995) Article DOI: 10.1016/0960-894X(95)00039-V BindingDB Entry DOI: 10.7270/Q29023R8
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50286413 ((3S,5aS,10bS,11aS)-3-Benzyl-10b-(2-hydroxy-5-nitro...) Show SMILES Oc1ccc(cc1C[C@@]12C[C@@H]3N([C@@H]1Nc1ccccc21)C(=O)[C@H](Cc1ccccc1)NC3=O)[N+]([O-])=O Show InChI InChI=1S/C27H24N4O5/c32-23-11-10-18(31(35)36)13-17(23)14-27-15-22-24(33)28-21(12-16-6-2-1-3-7-16)25(34)30(22)26(27)29-20-9-5-4-8-19(20)27/h1-11,13,21-22,26,29,32H,12,14-15H2,(H,28,33)/t21-,22-,26-,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	9.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonistic activity against Tachykinin receptor 1				Bioorg Med Chem Lett 5: 377-380 (1995) Article DOI: 10.1016/0960-894X(95)00039-V BindingDB Entry DOI: 10.7270/Q29023R8
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50286408 ((3S,5aR,10bR,11aS)-3-Benzyl-2,10b-bis-(2-hydroxy-5...) Show SMILES Oc1ccc(cc1CN1[C@@H](Cc2ccccc2)C(=O)N2[C@@H](C[C@@]3(Cc4cc(ccc4O)[N+]([O-])=O)[C@@H]2Nc2ccccc32)C1=O)[N+]([O-])=O Show InChI InChI=1S/C34H29N5O8/c40-29-12-10-23(38(44)45)15-21(29)17-34-18-28-31(42)36(19-22-16-24(39(46)47)11-13-30(22)41)27(14-20-6-2-1-3-7-20)32(43)37(28)33(34)35-26-9-5-4-8-25(26)34/h1-13,15-16,27-28,33,35,40-41H,14,17-19H2/t27-,28-,33+,34+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonistic activity against Tachykinin receptor 1				Bioorg Med Chem Lett 5: 377-380 (1995) Article DOI: 10.1016/0960-894X(95)00039-V BindingDB Entry DOI: 10.7270/Q29023R8
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50286407 ((3S,5aR,10bS,11aS)-3-Benzyl-10b-hydroxy-2,3,6,10b,...) Show SMILES O[C@]12C[C@@H]3N([C@H]1Nc1ccccc21)C(=O)[C@H](Cc1ccccc1)NC3=O Show InChI InChI=1S/C20H19N3O3/c24-17-16-11-20(26)13-8-4-5-9-14(13)22-19(20)23(16)18(25)15(21-17)10-12-6-2-1-3-7-12/h1-9,15-16,19,22,26H,10-11H2,(H,21,24)/t15-,16-,19+,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonistic activity against Tachykinin receptor 1				Bioorg Med Chem Lett 5: 377-380 (1995) Article DOI: 10.1016/0960-894X(95)00039-V BindingDB Entry DOI: 10.7270/Q29023R8
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50286415 ((3S,5aS,10bR,11aS)-3-Benzyl-10b-hydroxy-2,3,6,10b,...) Show SMILES O[C@@]12C[C@@H]3N([C@@H]1Nc1ccccc21)C(=O)[C@H](Cc1ccccc1)NC3=O Show InChI InChI=1S/C20H19N3O3/c24-17-16-11-20(26)13-8-4-5-9-14(13)22-19(20)23(16)18(25)15(21-17)10-12-6-2-1-3-7-12/h1-9,15-16,19,22,26H,10-11H2,(H,21,24)/t15-,16-,19-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonistic activity against Tachykinin receptor 1				Bioorg Med Chem Lett 5: 377-380 (1995) Article DOI: 10.1016/0960-894X(95)00039-V BindingDB Entry DOI: 10.7270/Q29023R8
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50286414 ((3S,5aS,10bS,11aS)-3-Benzyl-2,10b-bis-(2-hydroxy-5...) Show SMILES Oc1ccc(cc1CN1[C@@H](Cc2ccccc2)C(=O)N2[C@@H](C[C@]3(Cc4cc(ccc4O)[N+]([O-])=O)[C@H]2Nc2ccccc32)C1=O)[N+]([O-])=O Show InChI InChI=1S/C34H29N5O8/c40-29-12-10-23(38(44)45)15-21(29)17-34-18-28-31(42)36(19-22-16-24(39(46)47)11-13-30(22)41)27(14-20-6-2-1-3-7-20)32(43)37(28)33(34)35-26-9-5-4-8-25(26)34/h1-13,15-16,27-28,33,35,40-41H,14,17-19H2/t27-,28-,33-,34-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonistic activity against Tachykinin receptor 1				Bioorg Med Chem Lett 5: 377-380 (1995) Article DOI: 10.1016/0960-894X(95)00039-V BindingDB Entry DOI: 10.7270/Q29023R8
					More data for this Ligand-Target Pair